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We investigate aggregation mechanism of two proteins in a thermodynamically unambiguous manner by considering the finite size effect of free energy landscape of HP lattice protein model. Multi-Self-Overlap-Ensemble Monte Carlo method is…

Biomolecules · Quantitative Biology 2009-11-13 Kazuki Nakanishi , Macoto Kikuchi

Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is…

Machine Learning · Computer Science 2025-06-17 Weihua Du , Yiming Yang , Sean Welleck

The phase transitions at finite temperatures in the systems described by the Bose-Fermi-Hubbard model are investigated in this work in the framework of the selfconsistent random phase approximation. The case of the hard-core bosons is…

Other Condensed Matter · Physics 2010-09-07 T S Mysakovych

A methodology is proposed, which addresses the caveat that line-of-sight emission spectroscopy presents in that it cannot provide spatially resolved temperature measurements in nonhomogeneous temperature fields. The aim of this research is…

Machine Learning · Computer Science 2022-12-16 Ruiyuan Kang , Dimitrios C. Kyritsis , Panos Liatsis

We compute the nonzero temperature free energy up to the order g^6 \ln(1/g) in the coupling constant for vector like SU(N) gauge theories featuring matter transforming according to different representations of the underlying gauge group.…

High Energy Physics - Phenomenology · Physics 2011-03-07 Matin Mojaza , Claudio Pica , Francesco Sannino

Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative…

Biomolecules · Quantitative Biology 2025-06-02 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Aurélie Lozano , Vijil Chenthamarakshan , Payel Das , Jian Tang

We study the statistical distribution of the closest encounter between generic smooth observations computed along different trajectories of a rapidly mixing dynamical system. At the limit of large trajectories, we obtain a distribution of…

Chaotic Dynamics · Physics 2022-08-31 Theophile Caby

We present an analysis of the relaxation dynamics of finite-size topological qubits in contact with a thermal bath. Using a continuous-time Monte Carlo method, we explicitly compute the low-temperature nonequilibrium dynamics of the toric…

Statistical Mechanics · Physics 2014-12-08 C. Daniel Freeman , C. M. Herdman , Dylan J Gorman , K. B. Whaley

The freely jointed chain is often applied to model the thermodynamics of single polymer chains, but the traditional formulation of the model lacks internal energy changes due to bond stretching. For this reason, the extensible freely…

Statistical Mechanics · Physics 2026-05-13 Michael R. Buche

Sequential estimation of a vector of linear regression coefficients is considered under both centralized and decentralized setups. In sequential estimation, the number of observations used for estimation is determined by the observed…

Applications · Statistics 2014-12-18 Yasin Yilmaz , George V. Moustakides , Xiaodong Wang

According to recent progress in the finite size scaling theory of critical disordered systems, the nature of the phase transition is reflected in the distribution of pseudo-critical temperatures $T_c(i,L)$ over the ensemble of samples $(i)$…

Disordered Systems and Neural Networks · Physics 2007-05-23 Cecile Monthus , Thomas Garel

The optimized linear $\delta$-expansion is applied to the $\lambda \phi^4$ theory at high temperature. Using the imaginary time formalism the thermal mass is evaluated perturbatively up to order $\delta^2$. A variational procedure…

High Energy Physics - Phenomenology · Physics 2014-11-17 Marcus B. Pinto , Rudnei O. Ramos

It is "conventional wisdom" that the uncertainty of local temperature measurements on equilibrium systems diverges exponentially fast as their temperature $T$ drops to zero. In contrast, some exactly solvable models showcase a more benign…

Quantum Physics · Physics 2018-07-04 Karen V. Hovhannisyan , Luis A. Correa

We simulate the evolution of a protein-like sequence subject to point mutations, imposing conservation of the ground state, thermodynamic stability and fast folding. Our model is aimed at describing neutral evolution of natural proteins. We…

Statistical Mechanics · Physics 2009-10-31 Ugo Bastolla , Michele Vendruscolo , H. Eduardo Roman

An approach for analytical description of thermal processes in harmonic lattices is presented. We cover longitudinal and transverse vibrations of chains and out-of-plane vibrations of two-dimensional lattices with interactions of an…

Statistical Mechanics · Physics 2017-11-29 Vitaly A. Kuzkin , Anton M. Krivtsov

Protein folding is analyzed using a replica variational formalism to investigate some free energy landscape characteristics relevant for dynamics. A random contact interaction model that satisfies the minimum frustration principle is used…

Disordered Systems and Neural Networks · Physics 2009-10-30 Shoji Takada , Peter G. Wolynes

The equilibration of sinusoidally modulated distribution of the kinetic temperature is analyzed in the $\beta$-Fermi-Pasta-Ulam-Tsingou chain with different degrees of nonlinearity and for different wavelengths of temperature modulation.…

Building upon the one-step replica symmetry breaking formalism, duly understood and ramified, we show that the sequence of ordered extreme values of a general class of Euclidean-space logarithmically correlated random energy models…

Statistical Mechanics · Physics 2016-12-20 Xiangyu Cao , Yan V. Fyodorov , Pierre Le Doussal

We develop a general perturbative theory of finite-coupling quantum thermometry up to second order in probe-sample interaction. By assumption, the probe and sample are in thermal equilibrium, so the probe is described by the mean-force…

We examine probability distributions for thermodynamic quantities in finite-sized random systems close to criticality. Guided by available exact results, a general ansatz is proposed for replicated free energies, which leads to scaling…

Disordered Systems and Neural Networks · Physics 2009-10-31 Thorsten Emig , Mehran Kardar